E634-1446 Screening compound: N-(4-chloro-2-fluorophenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

E634-1446 Screening compound: N-(4-chloro-2-fluorophenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
E634-1446 Screening compound: N-(4-chloro-2-fluorophenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E634-1446
N-(4-chloro-2-fluorophenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E634-1446

Molecular Formula

C24H19ClFN5O2S (C24 H19 ClFN5 O2 S)

Compound Name

N-(4-chloro-2-fluorophenyl)-2-[(5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-2-[(5-{4-methyl-4H-furo[32-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc(cccc1)c1-n1c(SCC(Nc(ccc(Cl)c2)c2F)=O)nnc1-c1cc(occ2)c2n1C

InChI

InChI=1S/C24H19ClFN5O2S/c1-14-5-3-4-6-18(14)31-23(20-12-21-19(30(20)2)9-10-33-21)28-29-24(31)34-13-22(32)27-17-8-7-15(25)11-16(17)26/h3-12H,13H2,1-2H3,(H,27,32)

InChI Key

WEFYAQZAQODUJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-5.00

Polar Surface Area

56.871

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E634-1446 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E634-1446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E634-1446?
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What is the minimum amount of E634-1446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E634-1446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E634-1446
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E634-1446 available by request